(2S,3R)-3-hydroxy-2-[(4S)-1-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide

C11H19N3O3 — CID 138460106

IUPAC(2S,3R)-3-hydroxy-2-[(4S)-1-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide
SMILESCC1N([C@H](C(N)=O)[C@@H](C)O)C(=O)[C@]12CCCN2
InChIInChI=1S/C11H19N3O3/c1-6(15)8(9(12)16)14-7(2)11(10(14)17)4-3-5-13-11/h6-8,13,15H,3-5H2,1-2H3,(H2,12,16)/t6-,7?,8+,11+/m1/s1
InChIKeyPTKIHHICBPKTKK-XUPSQLBYSA-N
MW241.29 g/mol
LogP-1.43
Rot. Bonds3

About (2S,3R)-3-hydroxy-2-[(4S)-1-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide

(2S,3R)-3-hydroxy-2-[(4S)-1-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide (PubChem CID 138460106) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[(4S)-1-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[(4S)-1-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide
PubChem CID138460106
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name(2S,3R)-3-hydroxy-2-[(4S)-1-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide
SMILESCC1N([C@H](C(N)=O)[C@@H](C)O)C(=O)[C@]12CCCN2
InChIInChI=1S/C11H19N3O3/c1-6(15)8(9(12)16)14-7(2)11(10(14)17)4-3-5-13-11/h6-8,13,15H,3-5H2,1-2H3,(H2,12,16)/t6-,7?,8+,11+/m1/s1
InChIKeyPTKIHHICBPKTKK-XUPSQLBYSA-N
XLogP-1.43
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[(4S)-1-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide?
The IUPAC name of (2S,3R)-3-hydroxy-2-[(4S)-1-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide (CID 138460106) is (2S,3R)-3-hydroxy-2-[(4S)-1-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[(4S)-1-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[(4S)-1-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide is CC1N([C@H](C(N)=O)[C@@H](C)O)C(=O)[C@]12CCCN2.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[(4S)-1-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide?
The InChIKey is PTKIHHICBPKTKK-XUPSQLBYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-6(15)8(9(12)16)14-7(2)11(10(14)17)4-3-5-13-11/h6-8,13,15H,3-5H2,1-2H3,(H2,12,16)/t6-,7?,8+,11+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-[(4S)-1-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide?
(2S,3R)-3-hydroxy-2-[(4S)-1-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide has a molecular weight of 241.29 g/mol, XLogP of -1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-[(4S)-1-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide is sourced from PubChem (CID 138460106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).